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(Q82917011)
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English
22,25-Epoxy-9,19-cyclolanostane-3,24-diol
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
458.37599545999996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₀H₅₀O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C1CC(O)C(C)(C)O1)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H](C1CC(O)C(C)(C)O1)[C@H]1CC[C@@]2(C)[C@@H]3CCC4C(C)(C)[C@@H](O)CCC45CC35CC[C@]12C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C30H50O3/c1-18(20-16-24(32)26(4,5)33-20)19-10-12-28(7)22-9-8-21-25(2,3)23(31)11-13-29(21)17-30(22,29)15-14-27(19,28)6/h18-24,31-32H,8-17H2,1-7H3/t18-,19+,20?,21?,22-,23-,24?,27+,28-,29?,30?/m0/s1
0 references
InChIKey
MCQQYOJCESNCDO-KJWZVJGCSA-N
0 references
CAS Registry Number
188725-44-2
0 references
PubChem CID
44145006
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
68405084
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60940377
0 references
DSSTOX compound identifier
DTXCID601368845
0 references
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